1,3,5-trimethoxy-2-(2-phenylethenyl)benzene

C17H18O3 — CID 3809571

IUPAC1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
SMILESCOc1cc(OC)c(C=Cc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O3/c1-18-14-11-16(19-2)15(17(12-14)20-3)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRIAWNPPNZORUHY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.88
Rot. Bonds5

About 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene

1,3,5-trimethoxy-2-(2-phenylethenyl)benzene (PubChem CID 3809571) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
PubChem CID3809571
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
SMILESCOc1cc(OC)c(C=Cc2ccccc2)c(OC)c1
InChIInChI=1S/C17H18O3/c1-18-14-11-16(19-2)15(17(12-14)20-3)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyRIAWNPPNZORUHY-UHFFFAOYSA-N
XLogP3.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-[4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 139175976
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium
CID 3410175
1-methyl-2-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium iodide
CID 54612482
3-[2,4-dimethoxy-6-(2-phenylethenyl)phenyl]-3-(trifluoromethyl)diazirine
CID 140695800
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
[4-(2-phenylpropan-2-yl)phenyl] (E)-3-[2,4-dimethoxy-6-[(E)-2-phenylethenyl]phenyl]prop-2-enoate
CID 175032827
benzyl-[(2Z,4E,6E)-7-(2,4,6-trimethoxyphenyl)hepta-2,4,6-trienylidene]azanium
CID 143521937
1-methoxy-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 54212311
(E)-1-(2-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 6080180
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene?
The IUPAC name of 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene (CID 3809571) is 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene?
The canonical SMILES for 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene is COc1cc(OC)c(C=Cc2ccccc2)c(OC)c1.
What is the InChIKey of 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene?
The InChIKey is RIAWNPPNZORUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-18-14-11-16(19-2)15(17(12-14)20-3)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene?
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene has a molecular weight of 270.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxy-2-(2-phenylethenyl)benzene is sourced from PubChem (CID 3809571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).